Ligand |
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| Ligand Name: 2-DEOXY-2,2-DIFLUORO-BETA-D-GALACTOPYRANOSE | ||
| Canonical SMILES: FC1(F)[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O | ||
| Standard InChI: InChI=1S/C6H10F2O5/c7-6(8)4(11)3(10)2(1-9)13-5(6)12/h2-5,9-12H,1H2/t2-,3+,4+,5-/m1/s1 | ||
| HET Code: 7JZ | PubChem: 44237111 | |
| DrugBank: - | ChEMBL: CHEMBL1230572 | |
| Molecular Formula: C6H10F2O5 | Mol. Weight: 200.04964 | logP: -1.947 |
| HBD: 4 | HBA: 5 | |
| #Rotatable Bonds: 1 | TPSA: 90.15 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Nucleophilic Acyl Substitution | ASP 170 | A | 15.56 | 7.5 | Hemiacetal |  |
Binding Affinity |
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